N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide

C19H25N5O3 — CID 92634943

IUPACN-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c(C)noc3C)CC2)cn1
InChIInChI=1S/C19H25N5O3/c1-12-10-21-17(11-20-12)19(26)22-15-5-4-7-24(8-6-15)18(25)9-16-13(2)23-27-14(16)3/h10-11,15H,4-9H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyHXPREYDMNAEQRD-OAHLLOKOSA-N
MW371.44 g/mol
LogP1.74
Rot. Bonds4

About N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide

N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 92634943) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
PubChem CID92634943
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c(C)noc3C)CC2)cn1
InChIInChI=1S/C19H25N5O3/c1-12-10-21-17(11-20-12)19(26)22-15-5-4-7-24(8-6-15)18(25)9-16-13(2)23-27-14(16)3/h10-11,15H,4-9H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyHXPREYDMNAEQRD-OAHLLOKOSA-N
XLogP1.74
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 129344512
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
CID 56778583
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103439
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634374
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]ethanone
CID 110252871
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]ethanone
CID 95772893
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372864

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide (CID 92634943) is N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c(C)noc3C)CC2)cn1.
What is the InChIKey of N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is HXPREYDMNAEQRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-10-21-17(11-20-12)19(26)22-15-5-4-7-24(8-6-15)18(25)9-16-13(2)23-27-14(16)3/h10-11,15H,4-9H2,1-3H3,(H,22,26)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide?
N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 92634943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).