1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide

C14H21N3O3 — CID 138035626

IUPAC1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2oc(C(C)C)nc2C)C1
InChIInChI=1S/C14H21N3O3/c1-8(2)14-16-9(3)12(20-14)5-15-13(19)11-6-17(7-11)10(4)18/h8,11H,5-7H2,1-4H3,(H,15,19)
InChIKeyQHSYLBUPMUXWGA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.20
Rot. Bonds4

About 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide

1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide (PubChem CID 138035626) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide
PubChem CID138035626
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2oc(C(C)C)nc2C)C1
InChIInChI=1S/C14H21N3O3/c1-8(2)14-16-9(3)12(20-14)5-15-13(19)11-6-17(7-11)10(4)18/h8,11H,5-7H2,1-4H3,(H,15,19)
InChIKeyQHSYLBUPMUXWGA-UHFFFAOYSA-N
XLogP1.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide with MolForge

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Related Compounds

(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
5-[2-(dimethylamino)acetyl]-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407310
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
cis-(1R,2R)-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-propylcyclopropane-1-carboxamide
CID 138035624
(4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 164630239
(3S)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]oxolane-3-carboxamide
CID 164641161
(2,4-Dimethyloxazol-5-yl)methanamine
CID 22343507
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 81621110
N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
CID 84014574
2-(Azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 105458332
2-(Azetidin-3-yl)-4-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 105458336
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110714822

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide (CID 138035626) is 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCc2oc(C(C)C)nc2C)C1.
What is the InChIKey of 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide?
The InChIKey is QHSYLBUPMUXWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)14-16-9(3)12(20-14)5-15-13(19)11-6-17(7-11)10(4)18/h8,11H,5-7H2,1-4H3,(H,15,19).
What are the key properties of 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide?
1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 138035626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).