cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

C17H24N2O3 — CID 167273871

IUPACcis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
SMILESCOc1cc(CN[C@H]2CCC[C@H]2O)cc2nc(C(C)C)oc12
InChIInChI=1S/C17H24N2O3/c1-10(2)17-19-13-7-11(8-15(21-3)16(13)22-17)9-18-12-5-4-6-14(12)20/h7-8,10,12,14,18,20H,4-6,9H2,1-3H3/t12-,14+/m0/s1
InChIKeyDIHWSKMFZONVPU-GXTWGEPZSA-N
MW304.39 g/mol
LogP2.96
Rot. Bonds5

About cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (PubChem CID 167273871) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
PubChem CID167273871
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namecis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
SMILESCOc1cc(CN[C@H]2CCC[C@H]2O)cc2nc(C(C)C)oc12
InChIInChI=1S/C17H24N2O3/c1-10(2)17-19-13-7-11(8-15(21-3)16(13)22-17)9-18-12-5-4-6-14(12)20/h7-8,10,12,14,18,20H,4-6,9H2,1-3H3/t12-,14+/m0/s1
InChIKeyDIHWSKMFZONVPU-GXTWGEPZSA-N
XLogP2.96
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol with MolForge

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Related Compounds

cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166556863
2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
CID 166556677
cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167274613
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62360308
trans-(1S,2S)-2-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylamino]cyclohexan-1-ol
CID 95336181
trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol
CID 176752749
cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol
CID 167275276
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (CID 167273871) is cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is COc1cc(CN[C@H]2CCC[C@H]2O)cc2nc(C(C)C)oc12.
What is the InChIKey of cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The InChIKey is DIHWSKMFZONVPU-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-10(2)17-19-13-7-11(8-15(21-3)16(13)22-17)9-18-12-5-4-6-14(12)20/h7-8,10,12,14,18,20H,4-6,9H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol has a molecular weight of 304.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 167273871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).