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

C19H24N6O2 — CID 25269919

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN(c3ccc(C#N)cn3)CC2)no1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)15-11-16(23-27-15)22-18(26)25-8-4-7-24(9-10-25)17-6-5-14(12-20)13-21-17/h5-6,11,13H,4,7-10H2,1-3H3,(H,22,23,26)
InChIKeyIIIVJMLOHOQBEL-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.98
Rot. Bonds2

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide (PubChem CID 25269919) 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-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
PubChem CID25269919
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN(c3ccc(C#N)cn3)CC2)no1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)15-11-16(23-27-15)22-18(26)25-8-4-7-24(9-10-25)17-6-5-14(12-20)13-21-17/h5-6,11,13H,4,7-10H2,1-3H3,(H,22,23,26)
InChIKeyIIIVJMLOHOQBEL-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide (CID 25269919) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide is CC(C)(C)c1cc(NC(=O)N2CCCN(c3ccc(C#N)cn3)CC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The InChIKey is IIIVJMLOHOQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2,3)15-11-16(23-27-15)22-18(26)25-8-4-7-24(9-10-25)17-6-5-14(12-20)13-21-17/h5-6,11,13H,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-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(5-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-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 25269919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).