trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C16H22N4O2 — CID 167771937

IUPACtrans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ncc(C2CCC2)o1
InChIInChI=1S/C16H22N4O2/c21-14-7-11(9-20-5-4-17-10-20)6-13(14)19-16-18-8-15(22-16)12-2-1-3-12/h4-5,8,10-14,21H,1-3,6-7,9H2,(H,18,19)/t11?,13-,14-/m1/s1
InChIKeyROQYRPDUMWOPQJ-HIDCPEKUSA-N
MW302.38 g/mol
LogP2.39
Rot. Bonds5

About trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167771937) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID167771937
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametrans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ncc(C2CCC2)o1
InChIInChI=1S/C16H22N4O2/c21-14-7-11(9-20-5-4-17-10-20)6-13(14)19-16-18-8-15(22-16)12-2-1-3-12/h4-5,8,10-14,21H,1-3,6-7,9H2,(H,18,19)/t11?,13-,14-/m1/s1
InChIKeyROQYRPDUMWOPQJ-HIDCPEKUSA-N
XLogP2.39
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 167771937) is trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ncc(C2CCC2)o1.
What is the InChIKey of trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is ROQYRPDUMWOPQJ-HIDCPEKUSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-14-7-11(9-20-5-4-17-10-20)6-13(14)19-16-18-8-15(22-16)12-2-1-3-12/h4-5,8,10-14,21H,1-3,6-7,9H2,(H,18,19)/t11?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 302.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167771937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).