methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate

C19H25N3O4 — CID 155438157

IUPACmethyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc3cc(N4CCOCC4)c(N)cc3o2)CC1
InChIInChI=1S/C19H25N3O4/c1-24-19(23)13-4-2-12(3-5-13)18-21-15-11-16(14(20)10-17(15)26-18)22-6-8-25-9-7-22/h10-13H,2-9,20H2,1H3
InChIKeyJVMPNQFTAYHERC-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.69
Rot. Bonds3

About methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate

methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate (PubChem CID 155438157) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
PubChem CID155438157
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc3cc(N4CCOCC4)c(N)cc3o2)CC1
InChIInChI=1S/C19H25N3O4/c1-24-19(23)13-4-2-12(3-5-13)18-21-15-11-16(14(20)10-17(15)26-18)22-6-8-25-9-7-22/h10-13H,2-9,20H2,1H3
InChIKeyJVMPNQFTAYHERC-UHFFFAOYSA-N
XLogP2.69
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine
CID 174132742
N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155751824
methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate
CID 58509473
3-[(6-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 175407553
(2S)-3-[(6-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 166124405
2-cyclopropyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole
CID 82230733
methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
CID 58509447
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878785
methyl 4-(3-morpholin-4-yl-4-nitropyrazol-1-yl)cyclohexane-1-carboxylate
CID 146598694
tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804181

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate (CID 155438157) is methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nc3cc(N4CCOCC4)c(N)cc3o2)CC1.
What is the InChIKey of methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate?
The InChIKey is JVMPNQFTAYHERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-24-19(23)13-4-2-12(3-5-13)18-21-15-11-16(14(20)10-17(15)26-18)22-6-8-25-9-7-22/h10-13H,2-9,20H2,1H3.
What are the key properties of methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate?
methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 155438157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).