2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C23H22N4O3 — CID 46416951

IUPAC2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N4O3/c24-14-20-23(30-22(25-20)17-5-6-17)27-11-9-26(10-12-27)21(28)15-29-19-8-7-16-3-1-2-4-18(16)13-19/h1-4,7-8,13,17H,5-6,9-12,15H2
InChIKeyVDLNZASLHFTFPW-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.30
Rot. Bonds5

About 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 46416951) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID46416951
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N4O3/c24-14-20-23(30-22(25-20)17-5-6-17)27-11-9-26(10-12-27)21(28)15-29-19-8-7-16-3-1-2-4-18(16)13-19/h1-4,7-8,13,17H,5-6,9-12,15H2
InChIKeyVDLNZASLHFTFPW-UHFFFAOYSA-N
XLogP3.30
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 21008002
5-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647304
5-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647622
1-[4-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea
CID 46417195
4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide
CID 53497917
2-cyclopropyl-5-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 51078539
5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647663
5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647305
5-[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 56812154
5-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 51122887
2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 56816486
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 46416951) is 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2)oc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is VDLNZASLHFTFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-14-20-23(30-22(25-20)17-5-6-17)27-11-9-26(10-12-27)21(28)15-29-19-8-7-16-3-1-2-4-18(16)13-19/h1-4,7-8,13,17H,5-6,9-12,15H2.
What are the key properties of 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 402.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 46416951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).