(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide

C16H19N3O3 — CID 112507057

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CCc2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-11-10-14(19-22-11)18-16(21)12(2)17-15(20)9-8-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,20)(H,18,19,21)/t12-/m0/s1
InChIKeyLWBHYBKQYHMHNB-LBPRGKRZSA-N
MW301.35 g/mol
LogP2.06
Rot. Bonds6

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide (PubChem CID 112507057) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
PubChem CID112507057
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CCc2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-11-10-14(19-22-11)18-16(21)12(2)17-15(20)9-8-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,20)(H,18,19,21)/t12-/m0/s1
InChIKeyLWBHYBKQYHMHNB-LBPRGKRZSA-N
XLogP2.06
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507063
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide (CID 112507057) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide is Cc1cc(NC(=O)[C@H](C)NC(=O)CCc2ccccc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide?
The InChIKey is LWBHYBKQYHMHNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-10-14(19-22-11)18-16(21)12(2)17-15(20)9-8-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,20)(H,18,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide has a molecular weight of 301.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide is sourced from PubChem (CID 112507057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).