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

C13H20N4O3 — CID 164630239

IUPAC(4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1nc(C(C)C)oc1CNC(=O)[C@@H]1CN(C)C(=O)N1
InChIInChI=1S/C13H20N4O3/c1-7(2)12-15-8(3)10(20-12)5-14-11(18)9-6-17(4)13(19)16-9/h7,9H,5-6H2,1-4H3,(H,14,18)(H,16,19)/t9-/m0/s1
InChIKeyHULKQPHQAADAEH-VIFPVBQESA-N
MW280.33 g/mol
LogP0.75
Rot. Bonds4

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

(4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 164630239) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID164630239
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1nc(C(C)C)oc1CNC(=O)[C@@H]1CN(C)C(=O)N1
InChIInChI=1S/C13H20N4O3/c1-7(2)12-15-8(3)10(20-12)5-14-11(18)9-6-17(4)13(19)16-9/h7,9H,5-6H2,1-4H3,(H,14,18)(H,16,19)/t9-/m0/s1
InChIKeyHULKQPHQAADAEH-VIFPVBQESA-N
XLogP0.75
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53573318
N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407305
5-[2-(dimethylamino)acetyl]-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407310
5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97410648
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
CID 71937200
1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide
CID 138035626
(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 164639573
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 109429038
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 109429039
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 109432421
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915866

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 164630239) is (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide is Cc1nc(C(C)C)oc1CNC(=O)[C@@H]1CN(C)C(=O)N1.
What is the InChIKey of (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is HULKQPHQAADAEH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O3/c1-7(2)12-15-8(3)10(20-12)5-14-11(18)9-6-17(4)13(19)16-9/h7,9H,5-6H2,1-4H3,(H,14,18)(H,16,19)/t9-/m0/s1.
What are the key properties of (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 164630239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).