(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide

C19H25N3O3 — CID 97004854

IUPAC(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)NCc2cc(C)on2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-12-16(21-25-14)13-20-19(23)22-11-5-3-4-6-18(22)15-7-9-17(24-2)10-8-15/h7-10,12,18H,3-6,11,13H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyHXXNHIWLLBZWLP-GOSISDBHSA-N
MW343.43 g/mol
LogP3.82
Rot. Bonds4

About (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide

(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide (PubChem CID 97004854) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide
PubChem CID97004854
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)NCc2cc(C)on2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-12-16(21-25-14)13-20-19(23)22-11-5-3-4-6-18(22)15-7-9-17(24-2)10-8-15/h7-10,12,18H,3-6,11,13H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyHXXNHIWLLBZWLP-GOSISDBHSA-N
XLogP3.82
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
(2R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94663416
N-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 139001901
(2S)-N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076830
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
methyl N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]carbamate
CID 95310586
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-N-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503231
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide (CID 97004854) is (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide is COc1ccc([C@H]2CCCCCN2C(=O)NCc2cc(C)on2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide?
The InChIKey is HXXNHIWLLBZWLP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-12-16(21-25-14)13-20-19(23)22-11-5-3-4-6-18(22)15-7-9-17(24-2)10-8-15/h7-10,12,18H,3-6,11,13H2,1-2H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide?
(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 97004854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).