1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide

C16H18ClN5O3 — CID 75473329

IUPAC1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)N1CC(n2cc(C(N)=O)nn2)C1
InChIInChI=1S/C16H18ClN5O3/c1-9(2)25-14-4-3-10(17)5-12(14)16(24)21-6-11(7-21)22-8-13(15(18)23)19-20-22/h3-5,8-9,11H,6-7H2,1-2H3,(H2,18,23)
InChIKeyYYTZNTNWGKRGAV-UHFFFAOYSA-N
MW363.81 g/mol
LogP1.51
Rot. Bonds5

About 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide

1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide (PubChem CID 75473329) has the molecular formula C16H18ClN5O3 and a molecular weight of 363.81 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide
PubChem CID75473329
Molecular FormulaC16H18ClN5O3
Molecular Weight363.81 g/mol
Exact Mass363.11
IUPAC Name1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)N1CC(n2cc(C(N)=O)nn2)C1
InChIInChI=1S/C16H18ClN5O3/c1-9(2)25-14-4-3-10(17)5-12(14)16(24)21-6-11(7-21)22-8-13(15(18)23)19-20-22/h3-5,8-9,11H,6-7H2,1-2H3,(H2,18,23)
InChIKeyYYTZNTNWGKRGAV-UHFFFAOYSA-N
XLogP1.51
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]azetidin-3-yl]triazole-4-carboxamide
CID 126766298
(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552
1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide
CID 75473352
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5-chloro-2-propan-2-yloxyphenyl)methanone
CID 124611154
(5-chloro-2-propan-2-yloxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576533
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 120814221
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
4-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 154831310
(5-chloro-2-propan-2-yloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612547
1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide
CID 146089762
(5-chloro-2-propan-2-yloxyphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779930
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190064

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide (CID 75473329) is 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide is CC(C)Oc1ccc(Cl)cc1C(=O)N1CC(n2cc(C(N)=O)nn2)C1.
What is the InChIKey of 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide?
The InChIKey is YYTZNTNWGKRGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3/c1-9(2)25-14-4-3-10(17)5-12(14)16(24)21-6-11(7-21)22-8-13(15(18)23)19-20-22/h3-5,8-9,11H,6-7H2,1-2H3,(H2,18,23).
What are the key properties of 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide?
1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 75473329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).