(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H15ClN4O3 — CID 112507068

IUPAC(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN4O3/c1-8-7-12(19-22-8)18-13(20)9(2)16-14(21)17-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H2,16,17,21)(H,18,19,20)/t9-/m0/s1
InChIKeyLTHWRBAMWHYEDS-VIFPVBQESA-N
MW322.75 g/mol
LogP2.79
Rot. Bonds4

About (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 112507068) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID112507068
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN4O3/c1-8-7-12(19-22-8)18-13(20)9(2)16-14(21)17-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H2,16,17,21)(H,18,19,20)/t9-/m0/s1
InChIKeyLTHWRBAMWHYEDS-VIFPVBQESA-N
XLogP2.79
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110420997
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25350917
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 112507068) is (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)NC(=O)Nc2ccc(Cl)cc2)no1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is LTHWRBAMWHYEDS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-8-7-12(19-22-8)18-13(20)9(2)16-14(21)17-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H2,16,17,21)(H,18,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 322.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 112507068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).