(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide

C17H27N5O3 — CID 165421747

IUPAC(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)[C@@H]1CC[C@H](N)CN(C(C)=O)C1
InChIInChI=1S/C17H27N5O3/c1-3-21(10-15-19-16(25-20-15)12-4-5-12)17(24)13-6-7-14(18)9-22(8-13)11(2)23/h12-14H,3-10,18H2,1-2H3/t13-,14+/m1/s1
InChIKeyYYZADEOUVAWNCH-KGLIPLIRSA-N
MW349.44 g/mol
LogP0.88
Rot. Bonds5

About (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide

(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide (PubChem CID 165421747) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide
PubChem CID165421747
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)[C@@H]1CC[C@H](N)CN(C(C)=O)C1
InChIInChI=1S/C17H27N5O3/c1-3-21(10-15-19-16(25-20-15)12-4-5-12)17(24)13-6-7-14(18)9-22(8-13)11(2)23/h12-14H,3-10,18H2,1-2H3/t13-,14+/m1/s1
InChIKeyYYZADEOUVAWNCH-KGLIPLIRSA-N
XLogP0.88
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea
CID 126430063
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 56871099
1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
CID 91830712
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
(2R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylmorpholine-2-carboxamide
CID 95729325
[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone
CID 99727776
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 91781941
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 138002746
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 29023984
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide?
The IUPAC name of (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide (CID 165421747) is (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide?
The canonical SMILES for (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide is CCN(Cc1noc(C2CC2)n1)C(=O)[C@@H]1CC[C@H](N)CN(C(C)=O)C1.
What is the InChIKey of (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide?
The InChIKey is YYZADEOUVAWNCH-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-3-21(10-15-19-16(25-20-15)12-4-5-12)17(24)13-6-7-14(18)9-22(8-13)11(2)23/h12-14H,3-10,18H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide?
(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide is sourced from PubChem (CID 165421747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).