[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate

C18H19ClN2O5 — CID 27351832

IUPAC[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
SMILESCC[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H19ClN2O5/c1-3-14(17(22)20-16-6-10(2)26-21-16)25-18(23)12-7-11-8-13(19)4-5-15(11)24-9-12/h4-6,8,12,14H,3,7,9H2,1-2H3,(H,20,21,22)/t12-,14-/m1/s1
InChIKeyDPSWFMJWKFFROX-TZMCWYRMSA-N
MW378.81 g/mol
LogP3.15
Rot. Bonds5

About [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 27351832) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID27351832
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
SMILESCC[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H19ClN2O5/c1-3-14(17(22)20-16-6-10(2)26-21-16)25-18(23)12-7-11-8-13(19)4-5-15(11)24-9-12/h4-6,8,12,14H,3,7,9H2,1-2H3,(H,20,21,22)/t12-,14-/m1/s1
InChIKeyDPSWFMJWKFFROX-TZMCWYRMSA-N
XLogP3.15
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8643971
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8642870
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46697016
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 55420935
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 26009404
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-chloro-2-nitrobenzoate
CID 51862492
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8649502
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8645854
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8643907
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8641928

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate (CID 27351832) is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate is CC[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is DPSWFMJWKFFROX-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-3-14(17(22)20-16-6-10(2)26-21-16)25-18(23)12-7-11-8-13(19)4-5-15(11)24-9-12/h4-6,8,12,14H,3,7,9H2,1-2H3,(H,20,21,22)/t12-,14-/m1/s1.
What are the key properties of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate?
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 378.81 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 27351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).