(1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide

C15H17N3O2 — CID 122563304

IUPAC(1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc2oc(N[C@@H]3CC=CC[C@H]3C(N)=O)nc2c1
InChIInChI=1S/C15H17N3O2/c1-9-6-7-13-12(8-9)18-15(20-13)17-11-5-3-2-4-10(11)14(16)19/h2-3,6-8,10-11H,4-5H2,1H3,(H2,16,19)(H,17,18)/t10-,11-/m1/s1
InChIKeyJODNQMHVXWJMDF-GHMZBOCLSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds3

About (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide

(1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide (PubChem CID 122563304) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide
PubChem CID122563304
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc2oc(N[C@@H]3CC=CC[C@H]3C(N)=O)nc2c1
InChIInChI=1S/C15H17N3O2/c1-9-6-7-13-12(8-9)18-15(20-13)17-11-5-3-2-4-10(11)14(16)19/h2-3,6-8,10-11H,4-5H2,1H3,(H2,16,19)(H,17,18)/t10-,11-/m1/s1
InChIKeyJODNQMHVXWJMDF-GHMZBOCLSA-N
XLogP2.37
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide
CID 126836087
N-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxamide
CID 170421222
1,1-dimethyl-3-[4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]urea
CID 118289402
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
N-ethyl-5-methyl-1,3-benzoxazol-2-amine
CID 15684675
ethyl (2S)-3-cyclohexyl-2-[(5-methyl-1,3-benzoxazol-2-yl)amino]propanoate
CID 10449322
1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
CID 82598754
3-amino-2-(5-methyl-1,3-benzoxazol-2-yl)-3-oxopropanoic acid
CID 57017901
N'-(5-methyl-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 83832910
trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 164633039
4-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)carbamothioyl]benzamide
CID 11405099
4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 102348080

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide (CID 122563304) is (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide is Cc1ccc2oc(N[C@@H]3CC=CC[C@H]3C(N)=O)nc2c1.
What is the InChIKey of (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide?
The InChIKey is JODNQMHVXWJMDF-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-6-7-13-12(8-9)18-15(20-13)17-11-5-3-2-4-10(11)14(16)19/h2-3,6-8,10-11H,4-5H2,1H3,(H2,16,19)(H,17,18)/t10-,11-/m1/s1.
What are the key properties of (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide?
(1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 122563304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).