methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate

C19H25N3O5 — CID 4004369

IUPACmethyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H25N3O5/c1-4-5-6-11-22(12-17-21-16(13-27-17)18(23)26-3)19(24)20-14-7-9-15(25-2)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,24)
InChIKeyRRVNRVJGGXLDFZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.69
Rot. Bonds9

About methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 4004369) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID4004369
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Namemethyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H25N3O5/c1-4-5-6-11-22(12-17-21-16(13-27-17)18(23)26-3)19(24)20-14-7-9-15(25-2)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,24)
InChIKeyRRVNRVJGGXLDFZ-UHFFFAOYSA-N
XLogP3.69
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[(4-nitrophenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 5109294
methyl 2-[[3-methoxypropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 4013634
methyl 2-[[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4030458
methyl 2-[[(4-acetamidophenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3637655
methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766681
methyl 2-[[(3-cyanophenyl)carbamoyl-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 811012
methyl 2-[[(2,4-dimethoxybenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197468
methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 7356750
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
2-[[(3-methoxyphenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 5016026
ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
CID 3624648
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate (CID 4004369) is methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate is CCCCCN(Cc1nc(C(=O)OC)co1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is RRVNRVJGGXLDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-4-5-6-11-22(12-17-21-16(13-27-17)18(23)26-3)19(24)20-14-7-9-15(25-2)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,24).
What are the key properties of methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 4004369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).