N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide

C19H24N6O2 — CID 25270246

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN(c3cc(C#N)ccn3)CC2)no1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)15-12-16(23-27-15)22-18(26)25-8-4-7-24(9-10-25)17-11-14(13-20)5-6-21-17/h5-6,11-12H,4,7-10H2,1-3H3,(H,22,23,26)
InChIKeyZCQAIHDIZGPRAM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.98
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide (PubChem CID 25270246) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
PubChem CID25270246
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN(c3cc(C#N)ccn3)CC2)no1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)15-12-16(23-27-15)22-18(26)25-8-4-7-24(9-10-25)17-11-14(13-20)5-6-21-17/h5-6,11-12H,4,7-10H2,1-3H3,(H,22,23,26)
InChIKeyZCQAIHDIZGPRAM-UHFFFAOYSA-N
XLogP2.98
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 46239964
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide
CID 46861579
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]azetidine-2-carboxamide
CID 49847679
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953851
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide
CID 25267089
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(3-chloro-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 25267090
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 25269919
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 56676569
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953286
LON-WEI-babf2c61-14
CID 156907153
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(6-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 25269921
LON-WEI-b8d98729-23
CID 154704055

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide (CID 25270246) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide is CC(C)(C)c1cc(NC(=O)N2CCCN(c3cc(C#N)ccn3)CC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The InChIKey is ZCQAIHDIZGPRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2,3)15-12-16(23-27-15)22-18(26)25-8-4-7-24(9-10-25)17-11-14(13-20)5-6-21-17/h5-6,11-12H,4,7-10H2,1-3H3,(H,22,23,26).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 25270246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).