3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid

C12H17N3O5 — CID 107369494

IUPAC3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H17N3O5/c1-3-7(2)14-10(16)4-5-13-11(17)8-6-9(12(18)19)20-15-8/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)
InChIKeyORLPQHVARJZSBO-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.41
Rot. Bonds7

About 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369494) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369494
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H17N3O5/c1-3-7(2)14-10(16)4-5-13-11(17)8-6-9(12(18)19)20-15-8/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)
InChIKeyORLPQHVARJZSBO-UHFFFAOYSA-N
XLogP0.41
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
3-(3-methylsulfanylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369677
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62177406
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369983
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369494) is 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is CCC(C)NC(=O)CCNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is ORLPQHVARJZSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-7(2)14-10(16)4-5-13-11(17)8-6-9(12(18)19)20-15-8/h6-7H,3-5H2,1-2H3,(H,13,17)(H,14,16)(H,18,19).
What are the key properties of 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).