N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide

C18H20ClN5O2 — CID 172903728

IUPACN-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-22-8-7-15(21-22)17(25)23(2)13-5-9-24(10-6-13)18-20-14-4-3-12(19)11-16(14)26-18/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyPLZXUIDBNYFLPP-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide

N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 172903728) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID172903728
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-22-8-7-15(21-22)17(25)23(2)13-5-9-24(10-6-13)18-20-14-4-3-12(19)11-16(14)26-18/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyPLZXUIDBNYFLPP-UHFFFAOYSA-N
XLogP2.96
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903419
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973
[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)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 154567877
ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 57360960
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 154565639
N-(2-acetamidoethyl)-1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 154570414
4-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dimethylpiperazin-2-one
CID 154819248
[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
1-(6-chloro-1,3-benzoxazol-2-yl)-N-[(2,2-difluorocyclopropyl)methyl]piperidine-4-carboxamide
CID 155500343
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650989

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide (CID 172903728) is N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is PLZXUIDBNYFLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-22-8-7-15(21-22)17(25)23(2)13-5-9-24(10-6-13)18-20-14-4-3-12(19)11-16(14)26-18/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3.
What are the key properties of N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide?
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172903728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).