methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate

C25H30FN3O5 — CID 78152069

IUPACmethyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(C(=O)NC(c2ccc(F)cc2)C(C)C)n2c1COCC2
InChIInChI=1S/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30)
InChIKeyOUDMNRXDROKPJS-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.06
Rot. Bonds6

About methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate

methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 78152069) has the molecular formula C25H30FN3O5 and a molecular weight of 471.53 g/mol. Its IUPAC name is methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate
PubChem CID78152069
Molecular FormulaC25H30FN3O5
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Namemethyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(C(=O)NC(c2ccc(F)cc2)C(C)C)n2c1COCC2
InChIInChI=1S/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30)
InChIKeyOUDMNRXDROKPJS-UHFFFAOYSA-N
XLogP3.06
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

6-N-[1-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 146761009
methyl 1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate
CID 126514448
6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696454
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514549
methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate
CID 58290712
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71695938
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
methyl 1-[2-(propan-2-ylamino)benzoyl]pyrrolidine-2-carboxylate
CID 63107678
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl 1-[2-(4-fluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409959

Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate (CID 78152069) is methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(C(=O)NC(c2ccc(F)cc2)C(C)C)n2c1COCC2.
What is the InChIKey of methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is OUDMNRXDROKPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30).
What are the key properties of methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate?
methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 471.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 78152069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).