(3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one

C15H19N3O2 — CID 97072010

IUPAC(3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one
SMILESCc1ccc2oc(N3CCNC(=O)[C@@H]3C(C)C)nc2c1
InChIInChI=1S/C15H19N3O2/c1-9(2)13-14(19)16-6-7-18(13)15-17-11-8-10(3)4-5-12(11)20-15/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyWHRXOVRBMUQIOC-ZDUSSCGKSA-N
MW273.34 g/mol
LogP2.10
Rot. Bonds2

About (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one

(3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one (PubChem CID 97072010) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one
PubChem CID97072010
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one
SMILESCc1ccc2oc(N3CCNC(=O)[C@@H]3C(C)C)nc2c1
InChIInChI=1S/C15H19N3O2/c1-9(2)13-14(19)16-6-7-18(13)15-17-11-8-10(3)4-5-12(11)20-15/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyWHRXOVRBMUQIOC-ZDUSSCGKSA-N
XLogP2.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-methyl-1,3-benzoxazol-2-yl)piperidin-3-yl]imidazolidin-2-one
CID 167950185
2-(2-methyl-3-oxopiperazin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116691303
1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide
CID 126836087
(2S)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99825783
4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79885735
[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120941290
2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole
CID 119091935
3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
CID 45229030
3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982695
5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91643350
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 101403141
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one (CID 97072010) is (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one is Cc1ccc2oc(N3CCNC(=O)[C@@H]3C(C)C)nc2c1.
What is the InChIKey of (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is WHRXOVRBMUQIOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)13-14(19)16-6-7-18(13)15-17-11-8-10(3)4-5-12(11)20-15/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one?
(3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 97072010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).