(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide

C18H24N4O4 — CID 97434196

IUPAC(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1ccc2cnoc2c1)N1CCCO[C@H](CN2CCOCC2)C1
InChIInChI=1S/C18H24N4O4/c23-18(20-15-3-2-14-11-19-26-17(14)10-15)22-4-1-7-25-16(13-22)12-21-5-8-24-9-6-21/h2-3,10-11,16H,1,4-9,12-13H2,(H,20,23)/t16-/m1/s1
InChIKeyOJBABHNAKSGRFQ-MRXNPFEDSA-N
MW360.41 g/mol
LogP1.78
Rot. Bonds3

About (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide

(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide (PubChem CID 97434196) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide
PubChem CID97434196
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1ccc2cnoc2c1)N1CCCO[C@H](CN2CCOCC2)C1
InChIInChI=1S/C18H24N4O4/c23-18(20-15-3-2-14-11-19-26-17(14)10-15)22-4-1-7-25-16(13-22)12-21-5-8-24-9-6-21/h2-3,10-11,16H,1,4-9,12-13H2,(H,20,23)/t16-/m1/s1
InChIKeyOJBABHNAKSGRFQ-MRXNPFEDSA-N
XLogP1.78
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide with MolForge

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Related Compounds

(2S)-N-(4-chloro-2,6-dimethylphenyl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 97434875
(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
CID 92987988
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 125165064
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
(2S)-2-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]morpholine-4-carboxylic acid
CID 67220680
(2S)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990013
(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990012
(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 97436775
[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 125175679
[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72871043
N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 74245672
2-(pyrrolidin-1-ylmethyl)-N-(quinolin-3-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 119070619

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide (CID 97434196) is (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide is O=C(Nc1ccc2cnoc2c1)N1CCCO[C@H](CN2CCOCC2)C1.
What is the InChIKey of (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide?
The InChIKey is OJBABHNAKSGRFQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-18(20-15-3-2-14-11-19-26-17(14)10-15)22-4-1-7-25-16(13-22)12-21-5-8-24-9-6-21/h2-3,10-11,16H,1,4-9,12-13H2,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide?
(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 97434196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).