1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide

C14H13N5O2 — CID 126900944

IUPAC1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C14H13N5O2/c15-13(20)9-5-16-19(6-9)10-7-18(8-10)14-17-11-3-1-2-4-12(11)21-14/h1-6,10H,7-8H2,(H2,15,20)
InChIKeyDQAQEORELPYVMP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.18
Rot. Bonds3

About 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide

1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126900944) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126900944
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C14H13N5O2/c15-13(20)9-5-16-19(6-9)10-7-18(8-10)14-17-11-3-1-2-4-12(11)21-14/h1-6,10H,7-8H2,(H2,15,20)
InChIKeyDQAQEORELPYVMP-UHFFFAOYSA-N
XLogP1.18
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901090
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 127957586
2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
CID 135148582
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901064
(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
[(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 95502907
(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide
CID 94196147
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide (CID 126900944) is 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CN(c3nc4ccccc4o3)C2)c1.
What is the InChIKey of 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is DQAQEORELPYVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-13(20)9-5-16-19(6-9)10-7-18(8-10)14-17-11-3-1-2-4-12(11)21-14/h1-6,10H,7-8H2,(H2,15,20).
What are the key properties of 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126900944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).