1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea

C25H24N6O3 — CID 46417195

IUPAC1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C25H24N6O3/c26-16-21-24(34-22(29-21)17-6-7-17)31-14-12-30(13-15-31)23(32)18-8-10-20(11-9-18)28-25(33)27-19-4-2-1-3-5-19/h1-5,8-11,17H,6-7,12-15H2,(H2,27,28,33)
InChIKeyWWFKMHIHZQZGMZ-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea

1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea (PubChem CID 46417195) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea
PubChem CID46417195
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C25H24N6O3/c26-16-21-24(34-22(29-21)17-6-7-17)31-14-12-30(13-15-31)23(32)18-8-10-20(11-9-18)28-25(33)27-19-4-2-1-3-5-19/h1-5,8-11,17H,6-7,12-15H2,(H2,27,28,33)
InChIKeyWWFKMHIHZQZGMZ-UHFFFAOYSA-N
XLogP4.03
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea with MolForge

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Related Compounds

1-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 39952257
2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 56816486
5-[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 56812154
2-cyclopropyl-5-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 51078539
2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 46416951
5-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 51122887
N-[1-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47055418
4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide
CID 53497917
5-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 46410720
5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647355
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647281
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647389

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea (CID 46417195) is 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea is N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea?
The InChIKey is WWFKMHIHZQZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c26-16-21-24(34-22(29-21)17-6-7-17)31-14-12-30(13-15-31)23(32)18-8-10-20(11-9-18)28-25(33)27-19-4-2-1-3-5-19/h1-5,8-11,17H,6-7,12-15H2,(H2,27,28,33).
What are the key properties of 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea?
1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea has a molecular weight of 456.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea is sourced from PubChem (CID 46417195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).