3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

C16H22N4O3 — CID 72913553

IUPAC3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2ccnc2C)on1
InChIInChI=1S/C16H22N4O3/c1-11-7-14(23-19-11)8-13-9-22-10-15(13)18-16(21)3-5-20-6-4-17-12(20)2/h4,6-7,13,15H,3,5,8-10H2,1-2H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyHORKHFMITJGFBQ-HIFRSBDPSA-N
MW318.38 g/mol
LogP1.25
Rot. Bonds6

About 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (PubChem CID 72913553) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
PubChem CID72913553
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2ccnc2C)on1
InChIInChI=1S/C16H22N4O3/c1-11-7-14(23-19-11)8-13-9-22-10-15(13)18-16(21)3-5-20-6-4-17-12(20)2/h4,6-7,13,15H,3,5,8-10H2,1-2H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyHORKHFMITJGFBQ-HIFRSBDPSA-N
XLogP1.25
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72860647
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72863045
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 72920517
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
CID 72938051
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 72858551
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 133114989
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 137247143
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 72850871
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
CID 72870120
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 72900859
N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 156604349

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The IUPAC name of 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (CID 72913553) is 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2ccnc2C)on1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The InChIKey is HORKHFMITJGFBQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-7-14(23-19-11)8-13-9-22-10-15(13)18-16(21)3-5-20-6-4-17-12(20)2/h4,6-7,13,15H,3,5,8-10H2,1-2H3,(H,18,21)/t13-,15+/m1/s1.
What are the key properties of 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide has a molecular weight of 318.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is sourced from PubChem (CID 72913553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).