N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide

C15H15N3O2 — CID 162530174

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C15H15N3O2/c1-5-10-6-11(9-16-8-10)14(19)17-13-7-12(20-18-13)15(2,3)4/h1,6-9H,2-4H3,(H,17,18,19)
InChIKeyPEKKKNSUBTVFDT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.60
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide (PubChem CID 162530174) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide
PubChem CID162530174
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C15H15N3O2/c1-5-10-6-11(9-16-8-10)14(19)17-13-7-12(20-18-13)15(2,3)4/h1,6-9H,2-4H3,(H,17,18,19)
InChIKeyPEKKKNSUBTVFDT-UHFFFAOYSA-N
XLogP2.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
CID 58990227
CID 58990227
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide
CID 100657762
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
5-[amino-[(Z)-2-amino-2-(5-bromo-3-pyridinyl)ethenyl]amino]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide;ethane
CID 143962309
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
5-ethynyl-N,N-dimethylpyridine-3-carboxamide
CID 130118726
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
5-[5-(5-bromo-3-pyridinyl)-1,2-dihydrotriazol-3-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methylpyridine-3-carboxamide
CID 90335010
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide
CID 58563416

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide (CID 162530174) is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide is C#Cc1cncc(C(=O)Nc2cc(C(C)(C)C)on2)c1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide?
The InChIKey is PEKKKNSUBTVFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-5-10-6-11(9-16-8-10)14(19)17-13-7-12(20-18-13)15(2,3)4/h1,6-9H,2-4H3,(H,17,18,19).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide is sourced from PubChem (CID 162530174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).