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

C14H18N4O3 — CID 72900836

IUPAC1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2nccn2C)on1
InChIInChI=1S/C14H18N4O3/c1-9-5-11(21-17-9)6-10-7-20-8-12(10)16-14(19)13-15-3-4-18(13)2/h3-5,10,12H,6-8H2,1-2H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyYJDSKSAENNQVTK-PWSUYJOCSA-N
MW290.32 g/mol
LogP0.70
Rot. Bonds4

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

1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide (PubChem CID 72900836) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
PubChem CID72900836
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2nccn2C)on1
InChIInChI=1S/C14H18N4O3/c1-9-5-11(21-17-9)6-10-7-20-8-12(10)16-14(19)13-15-3-4-18(13)2/h3-5,10,12H,6-8H2,1-2H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyYJDSKSAENNQVTK-PWSUYJOCSA-N
XLogP0.70
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72913553
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
3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72860647
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
3-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-oxophthalazine-1-carboxamide
CID 72927834
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72870218
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 72910431
5-acetyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]thiophene-3-carboxamide
CID 72891636
5-acetyl-2,4-dimethyl-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 133134089
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]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56899502

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide (CID 72900836) is 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2nccn2C)on1.
What is the InChIKey of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide?
The InChIKey is YJDSKSAENNQVTK-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-5-11(21-17-9)6-10-7-20-8-12(10)16-14(19)13-15-3-4-18(13)2/h3-5,10,12H,6-8H2,1-2H3,(H,16,19)/t10-,12+/m1/s1.
What are the key properties of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide?
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide is sourced from PubChem (CID 72900836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).