methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate

C15H17ClN2O3 — CID 94117851

IUPACmethyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate
SMILESCC[C@@H](C)Nc1onc(-c2cccc(Cl)c2)c1C(=O)OC
InChIInChI=1S/C15H17ClN2O3/c1-4-9(2)17-14-12(15(19)20-3)13(18-21-14)10-6-5-7-11(16)8-10/h5-9,17H,4H2,1-3H3/t9-/m1/s1
InChIKeyWSAFDAYNXGKCTH-SECBINFHSA-N
MW308.77 g/mol
LogP3.99
Rot. Bonds5

About methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate

methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate (PubChem CID 94117851) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate
PubChem CID94117851
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Namemethyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate
SMILESCC[C@@H](C)Nc1onc(-c2cccc(Cl)c2)c1C(=O)OC
InChIInChI=1S/C15H17ClN2O3/c1-4-9(2)17-14-12(15(19)20-3)13(18-21-14)10-6-5-7-11(16)8-10/h5-9,17H,4H2,1-3H3/t9-/m1/s1
InChIKeyWSAFDAYNXGKCTH-SECBINFHSA-N
XLogP3.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate
CID 53008889
methyl 3-(4-chlorophenyl)-5-(4-phenylbutan-2-ylamino)-1,2-oxazole-4-carboxylate
CID 22581789
methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
CID 53022279
ethyl 3-(4-chlorophenyl)-5-(2-methylpropanoylamino)-1,2-oxazole-4-carboxylate
CID 108742858
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580488
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
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methyl (3R)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 67070965
ethyl 3-(4-chlorophenyl)-5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-1,2-oxazole-4-carboxylate
CID 108765260
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 100757475
2-chloro-N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate (CID 94117851) is methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate is CC[C@@H](C)Nc1onc(-c2cccc(Cl)c2)c1C(=O)OC.
What is the InChIKey of methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is WSAFDAYNXGKCTH-SECBINFHSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-4-9(2)17-14-12(15(19)20-3)13(18-21-14)10-6-5-7-11(16)8-10/h5-9,17H,4H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate?
methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 308.77 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 94117851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).