(3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine

C14H21N5O2 — CID 167780487

IUPAC(3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine
SMILESCCn1cncc1CN[C@H]1COC[C@H]1Oc1cnn(C)c1
InChIInChI=1S/C14H21N5O2/c1-3-19-10-15-4-11(19)5-16-13-8-20-9-14(13)21-12-6-17-18(2)7-12/h4,6-7,10,13-14,16H,3,5,8-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyAVKPHDTXAMVGDZ-UONOGXRCSA-N
MW291.36 g/mol
LogP0.57
Rot. Bonds6

About (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine

(3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine (PubChem CID 167780487) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine
PubChem CID167780487
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine
SMILESCCn1cncc1CN[C@H]1COC[C@H]1Oc1cnn(C)c1
InChIInChI=1S/C14H21N5O2/c1-3-19-10-15-4-11(19)5-16-13-8-20-9-14(13)21-12-6-17-18(2)7-12/h4,6-7,10,13-14,16H,3,5,8-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyAVKPHDTXAMVGDZ-UONOGXRCSA-N
XLogP0.57
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine?
The IUPAC name of (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine (CID 167780487) is (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine.
What is the SMILES notation for (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine?
The canonical SMILES for (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine is CCn1cncc1CN[C@H]1COC[C@H]1Oc1cnn(C)c1.
What is the InChIKey of (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine?
The InChIKey is AVKPHDTXAMVGDZ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-19-10-15-4-11(19)5-16-13-8-20-9-14(13)21-12-6-17-18(2)7-12/h4,6-7,10,13-14,16H,3,5,8-9H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine?
(3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine has a molecular weight of 291.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine is sourced from PubChem (CID 167780487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).