(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

C17H19N3O2 — CID 6625198

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(15-12-16(22-18-15)13-6-7-13)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyYFWCMWPBMDJIHN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.51
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 6625198) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID6625198
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(15-12-16(22-18-15)13-6-7-13)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyYFWCMWPBMDJIHN-UHFFFAOYSA-N
XLogP2.51
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cym-5541
CID 17253208
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
4-(4-Methoxyphenyl)piperazinyl 5-methylisoxazol-3-yl ketone
CID 842091
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
1-(5-Methyl-4-nitro-1,2-oxazole-3-carbonyl)-4-phenylpiperazine
CID 20864742
(5-Phenyl-3-isoxazolyl)-(1-pyrrolidinyl)methanone
CID 973874
2-[(5-Phenyl-3-isoxazolyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 973876
N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093791

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 6625198) is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is YFWCMWPBMDJIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(15-12-16(22-18-15)13-6-7-13)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 6625198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).