N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C17H22N4O2 — CID 129399018

IUPACN-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1
InChIInChI=1S/C17H22N4O2/c1-13-16(20-12-23-13)17(22)21(11-14-5-2-3-9-19-14)15-6-4-8-18-10-7-15/h2-3,5,9,12,15,18H,4,6-8,10-11H2,1H3/t15-/m1/s1
InChIKeyXCKDVMKLCCXZIE-OAHLLOKOSA-N
MW314.39 g/mol
LogP2.16
Rot. Bonds4

About N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 129399018) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID129399018
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1
InChIInChI=1S/C17H22N4O2/c1-13-16(20-12-23-13)17(22)21(11-14-5-2-3-9-19-14)15-6-4-8-18-10-7-15/h2-3,5,9,12,15,18H,4,6-8,10-11H2,1H3/t15-/m1/s1
InChIKeyXCKDVMKLCCXZIE-OAHLLOKOSA-N
XLogP2.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 129399018) is N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1.
What is the InChIKey of N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XCKDVMKLCCXZIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-16(20-12-23-13)17(22)21(11-14-5-2-3-9-19-14)15-6-4-8-18-10-7-15/h2-3,5,9,12,15,18H,4,6-8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-azepan-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 129399018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).