[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone

C15H16ClN3O2 — CID 171335973

IUPAC[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-4-12-13(9-11)21-15(17-12)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyFQZRRPJGSWEKBS-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.54
Rot. Bonds2

About [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone

[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 171335973) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID171335973
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-4-12-13(9-11)21-15(17-12)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyFQZRRPJGSWEKBS-UHFFFAOYSA-N
XLogP2.54
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 154565639
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 154821040
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 155506098
[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanone
CID 154818181
ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 57360960
4-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dimethylpiperazin-2-one
CID 154819248
6-chloro-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzoxazole
CID 166603660
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 154570414
1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
CID 83842622
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 154565362

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone (CID 171335973) is [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(c2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is FQZRRPJGSWEKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-3-4-12-13(9-11)21-15(17-12)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 305.76 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 171335973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).