(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H18N4O4 — CID 124754787

IUPAC(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc(-c2ccc(CNC(=O)[C@H](C)n3c(=O)oc4ccccc43)cc2)no1
InChIInChI=1S/C20H18N4O4/c1-12(24-16-5-3-4-6-17(16)27-20(24)26)19(25)21-11-14-7-9-15(10-8-14)18-22-13(2)28-23-18/h3-10,12H,11H2,1-2H3,(H,21,25)/t12-/m0/s1
InChIKeyOXXVWTZQSBJQOI-LBPRGKRZSA-N
MW378.39 g/mol
LogP2.83
Rot. Bonds5

About (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 124754787) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID124754787
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc(-c2ccc(CNC(=O)[C@H](C)n3c(=O)oc4ccccc43)cc2)no1
InChIInChI=1S/C20H18N4O4/c1-12(24-16-5-3-4-6-17(16)27-20(24)26)19(25)21-11-14-7-9-15(10-8-14)18-22-13(2)28-23-18/h3-10,12H,11H2,1-2H3,(H,21,25)/t12-/m0/s1
InChIKeyOXXVWTZQSBJQOI-LBPRGKRZSA-N
XLogP2.83
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18143050
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119059181
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24613317
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 134036586
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 55529643
N-[(5-ethyl-2-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 154885804
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 124754787) is (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1nc(-c2ccc(CNC(=O)[C@H](C)n3c(=O)oc4ccccc43)cc2)no1.
What is the InChIKey of (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is OXXVWTZQSBJQOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-12(24-16-5-3-4-6-17(16)27-20(24)26)19(25)21-11-14-7-9-15(10-8-14)18-22-13(2)28-23-18/h3-10,12H,11H2,1-2H3,(H,21,25)/t12-/m0/s1.
What are the key properties of (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 378.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 124754787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).