(2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide

C12H20N4O3 — CID 99836115

IUPAC(2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCCc1noc(C)c1NC(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C12H20N4O3/c1-6-9-10(8(3)19-15-9)14-12(18)13-7(2)11(17)16(4)5/h7H,6H2,1-5H3,(H2,13,14,18)/t7-/m0/s1
InChIKeyKZTCSGMYHKKTPD-ZETCQYMHSA-N
MW268.32 g/mol
LogP1.14
Rot. Bonds4

About (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide

(2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 99836115) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
PubChem CID99836115
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCCc1noc(C)c1NC(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C12H20N4O3/c1-6-9-10(8(3)19-15-9)14-12(18)13-7(2)11(17)16(4)5/h7H,6H2,1-5H3,(H2,13,14,18)/t7-/m0/s1
InChIKeyKZTCSGMYHKKTPD-ZETCQYMHSA-N
XLogP1.14
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86795561
1-ethyl-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)urea
CID 109397208
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 109397206
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 109397223
1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86792399
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 43574032
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
1-[(1-tert-butylpyrrolidin-3-yl)methyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 126821088

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide (CID 99836115) is (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide is CCc1noc(C)c1NC(=O)N[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is KZTCSGMYHKKTPD-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-6-9-10(8(3)19-15-9)14-12(18)13-7(2)11(17)16(4)5/h7H,6H2,1-5H3,(H2,13,14,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide?
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 99836115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).