(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide

C17H22N4O4 — CID 125023614

IUPAC(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1ccc2oc(=O)n(CCC(=O)N3CCN(C)[C@@H](C(N)=O)C3)c2c1
InChIInChI=1S/C17H22N4O4/c1-11-3-4-14-12(9-11)21(17(24)25-14)6-5-15(22)20-8-7-19(2)13(10-20)16(18)23/h3-4,9,13H,5-8,10H2,1-2H3,(H2,18,23)/t13-/m1/s1
InChIKeyYZKVDLNFYNLGBL-CYBMUJFWSA-N
MW346.39 g/mol
LogP-0.08
Rot. Bonds4

About (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide

(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 125023614) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
PubChem CID125023614
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1ccc2oc(=O)n(CCC(=O)N3CCN(C)[C@@H](C(N)=O)C3)c2c1
InChIInChI=1S/C17H22N4O4/c1-11-3-4-14-12(9-11)21(17(24)25-14)6-5-15(22)20-8-7-19(2)13(10-20)16(18)23/h3-4,9,13H,5-8,10H2,1-2H3,(H2,18,23)/t13-/m1/s1
InChIKeyYZKVDLNFYNLGBL-CYBMUJFWSA-N
XLogP-0.08
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085995
1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085996
3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
CID 56887047
(2S)-4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124944223
5-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50954745
3-[3-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
CID 95221485
2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 56816591
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 41075219
3-[2-[4-(dimethylamino)azepan-1-yl]-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one
CID 56911720
4-[2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzoic acid
CID 82097971
3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 55379515

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide (CID 125023614) is (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide is Cc1ccc2oc(=O)n(CCC(=O)N3CCN(C)[C@@H](C(N)=O)C3)c2c1.
What is the InChIKey of (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is YZKVDLNFYNLGBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-3-4-14-12(9-11)21(17(24)25-14)6-5-15(22)20-8-7-19(2)13(10-20)16(18)23/h3-4,9,13H,5-8,10H2,1-2H3,(H2,18,23)/t13-/m1/s1.
What are the key properties of (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 125023614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).