N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide

C15H18N4O3 — CID 138004745

IUPACN-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
SMILESCC1CN(C)C(=O)CN1C(=O)NCc1noc2ccccc12
InChIInChI=1S/C15H18N4O3/c1-10-8-18(2)14(20)9-19(10)15(21)16-7-12-11-5-3-4-6-13(11)22-17-12/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyKJCHOSBJXUMAEW-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.20
Rot. Bonds2

About N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide

N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide (PubChem CID 138004745) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
PubChem CID138004745
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
SMILESCC1CN(C)C(=O)CN1C(=O)NCc1noc2ccccc12
InChIInChI=1S/C15H18N4O3/c1-10-8-18(2)14(20)9-19(10)15(21)16-7-12-11-5-3-4-6-13(11)22-17-12/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyKJCHOSBJXUMAEW-UHFFFAOYSA-N
XLogP1.20
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 50757562
3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
CID 20901318
N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 138004733
1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
CID 138004737
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 115491768
3-(1,2-benzoxazol-3-ylmethyl)-1-benzyl-1-methylurea
CID 46274750
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
1-(4-acetylphenyl)-3-(1,2-benzoxazol-3-ylmethyl)urea
CID 126458830
3-(1,2-benzoxazol-3-ylmethyl)-1-methyl-1-(2-methylphenyl)urea
CID 20901345

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide (CID 138004745) is N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide is CC1CN(C)C(=O)CN1C(=O)NCc1noc2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide?
The InChIKey is KJCHOSBJXUMAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-8-18(2)14(20)9-19(10)15(21)16-7-12-11-5-3-4-6-13(11)22-17-12/h3-6,10H,7-9H2,1-2H3,(H,16,21).
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide?
N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide is sourced from PubChem (CID 138004745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).