(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol

C15H23N5O2 — CID 167971094

IUPAC(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCc1nc([C@H]2C[C@H](CNCc3ncc(C)o3)[C@H](O)C2)n[nH]1
InChIInChI=1S/C15H23N5O2/c1-3-13-18-15(20-19-13)10-4-11(12(21)5-10)7-16-8-14-17-6-9(2)22-14/h6,10-12,16,21H,3-5,7-8H2,1-2H3,(H,18,19,20)/t10-,11+,12+/m0/s1
InChIKeyDFPZYSXODVOZOV-QJPTWQEYSA-N
MW305.38 g/mol
LogP1.31
Rot. Bonds6

About (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol

(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 167971094) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID167971094
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCc1nc([C@H]2C[C@H](CNCc3ncc(C)o3)[C@H](O)C2)n[nH]1
InChIInChI=1S/C15H23N5O2/c1-3-13-18-15(20-19-13)10-4-11(12(21)5-10)7-16-8-14-17-6-9(2)22-14/h6,10-12,16,21H,3-5,7-8H2,1-2H3,(H,18,19,20)/t10-,11+,12+/m0/s1
InChIKeyDFPZYSXODVOZOV-QJPTWQEYSA-N
XLogP1.31
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
(1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 167745983
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698
1-(1H-imidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275587
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826023
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 103578837
1-(4-ethylmorpholin-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180316
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 167971094) is (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol is CCc1nc([C@H]2C[C@H](CNCc3ncc(C)o3)[C@H](O)C2)n[nH]1.
What is the InChIKey of (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is DFPZYSXODVOZOV-QJPTWQEYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-13-18-15(20-19-13)10-4-11(12(21)5-10)7-16-8-14-17-6-9(2)22-14/h6,10-12,16,21H,3-5,7-8H2,1-2H3,(H,18,19,20)/t10-,11+,12+/m0/s1.
What are the key properties of (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 305.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 167971094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).