4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane

C19H29N3O2 — CID 142331207

IUPAC4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane
SMILESCC.Cc1noc(C)c1-c1ccc(NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C17H23N3O2.C2H6/c1-10-17(11(2)22-20-10)12-3-8-16(15(18)9-12)19-13-4-6-14(21)7-5-13;1-2/h3,8-9,13-14,19,21H,4-7,18H2,1-2H3;1-2H3
InChIKeyRZNMGDZDGROURY-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.28
Rot. Bonds3

About 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane

4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane (PubChem CID 142331207) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane.

Molecular Properties

Compound Name4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane
PubChem CID142331207
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane
SMILESCC.Cc1noc(C)c1-c1ccc(NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C17H23N3O2.C2H6/c1-10-17(11(2)22-20-10)12-3-8-16(15(18)9-12)19-13-4-6-14(21)7-5-13;1-2/h3,8-9,13-14,19,21H,4-7,18H2,1-2H3;1-2H3
InChIKeyRZNMGDZDGROURY-UHFFFAOYSA-N
XLogP4.28
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
CID 134457385
1-N-(3,3-difluorocyclopentyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 153291200
(2S)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxycyclohexyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 142754626
butyl 3-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]pyrrolidine-1-carboxylate
CID 153410652
(2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,2-diamine
CID 159628471
4-(2-amino-4-chloroanilino)cyclohexan-1-ol
CID 18509767
4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
CID 18509700
methyl 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitroanilino]cyclohexane-1-carboxylate
CID 142331175
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
1-N-cyclopropyl-4-methylbenzene-1,2-diamine
CID 43349417
3-amino-4-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 18509705
4-N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2,4-diamine
CID 69014628

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane?
The IUPAC name of 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane (CID 142331207) is 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane.
What is the SMILES notation for 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane?
The canonical SMILES for 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane is CC.Cc1noc(C)c1-c1ccc(NC2CCC(O)CC2)c(N)c1.
What is the InChIKey of 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane?
The InChIKey is RZNMGDZDGROURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.C2H6/c1-10-17(11(2)22-20-10)12-3-8-16(15(18)9-12)19-13-4-6-14(21)7-5-13;1-2/h3,8-9,13-14,19,21H,4-7,18H2,1-2H3;1-2H3.
What are the key properties of 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane?
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane has a molecular weight of 331.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane is sourced from PubChem (CID 142331207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).