(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

C16H20N4O4 — CID 125438312

IUPAC(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc2oc(CNC(=O)N3CCN(C)C(=O)[C@@H]3C)nc2c1
InChIInChI=1S/C16H20N4O4/c1-10-15(21)19(2)6-7-20(10)16(22)17-9-14-18-12-8-11(23-3)4-5-13(12)24-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyCPLHSVLAWPWBHE-JTQLQIEISA-N
MW332.36 g/mol
LogP1.21
Rot. Bonds3

About (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 125438312) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID125438312
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc2oc(CNC(=O)N3CCN(C)C(=O)[C@@H]3C)nc2c1
InChIInChI=1S/C16H20N4O4/c1-10-15(21)19(2)6-7-20(10)16(22)17-9-14-18-12-8-11(23-3)4-5-13(12)24-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyCPLHSVLAWPWBHE-JTQLQIEISA-N
XLogP1.21
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445358
(3S)-3-(1H-imidazol-2-yl)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]piperidine-1-carboxamide
CID 125439102
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91794515
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664819
(3R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125162951
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124757282
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70753555
2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
CID 70737300
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91835467
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124843358
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (CID 125438312) is (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is COc1ccc2oc(CNC(=O)N3CCN(C)C(=O)[C@@H]3C)nc2c1.
What is the InChIKey of (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is CPLHSVLAWPWBHE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10-15(21)19(2)6-7-20(10)16(22)17-9-14-18-12-8-11(23-3)4-5-13(12)24-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,22)/t10-/m0/s1.
What are the key properties of (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125438312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).