4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide

C17H21ClN4O2 — CID 71520912

IUPAC4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C17H21ClN4O2/c18-12-5-6-15-14(11-12)20-17(24-15)22-9-7-21(8-10-22)16(23)19-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,23)
InChIKeyKHILWEMMFZYLOM-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.26
Rot. Bonds2

About 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide

4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 71520912) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID71520912
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C17H21ClN4O2/c18-12-5-6-15-14(11-12)20-17(24-15)22-9-7-21(8-10-22)16(23)19-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,23)
InChIKeyKHILWEMMFZYLOM-UHFFFAOYSA-N
XLogP3.26
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 129373214
[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide
CID 167081487
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 154883057
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 112779921

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide (CID 71520912) is 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is KHILWEMMFZYLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-12-5-6-15-14(11-12)20-17(24-15)22-9-7-21(8-10-22)16(23)19-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,23).
What are the key properties of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide?
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 71520912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).