(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide

C16H19ClN4O2 — CID 67953708

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCN2c2ccc(Cl)cn2)no1
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)12-8-13(20-23-12)19-15(22)11-6-7-21(11)14-5-4-10(17)9-18-14/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,20,22)/t11-/m0/s1
InChIKeyVDXKTKDVPGQEDH-NSHDSACASA-N
MW334.81 g/mol
LogP3.24
Rot. Bonds3

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide (PubChem CID 67953708) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide
PubChem CID67953708
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCN2c2ccc(Cl)cn2)no1
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)12-8-13(20-23-12)19-15(22)11-6-7-21(11)14-5-4-10(17)9-18-14/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,20,22)/t11-/m0/s1
InChIKeyVDXKTKDVPGQEDH-NSHDSACASA-N
XLogP3.24
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide
CID 135291988
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953414
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 77295527
[1-[(4-chlorophenyl)methyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249916
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
CID 70864988
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953391

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide (CID 67953708) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCN2c2ccc(Cl)cn2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide?
The InChIKey is VDXKTKDVPGQEDH-NSHDSACASA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-16(2,3)12-8-13(20-23-12)19-15(22)11-6-7-21(11)14-5-4-10(17)9-18-14/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,20,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide is sourced from PubChem (CID 67953708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).