[2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid

C11H17N3O4 — CID 58745723

IUPAC[2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid
SMILESCC(C)NC(C)(C)c1nc(C(=O)NC(=O)O)co1
InChIInChI=1S/C11H17N3O4/c1-6(2)14-11(3,4)9-12-7(5-18-9)8(15)13-10(16)17/h5-6,14H,1-4H3,(H,13,15)(H,16,17)
InChIKeyGSWAGHQSKFEBBF-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.32
Rot. Bonds4

About [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid

[2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid (PubChem CID 58745723) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid.

Molecular Properties

Compound Name[2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid
PubChem CID58745723
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name[2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid
SMILESCC(C)NC(C)(C)c1nc(C(=O)NC(=O)O)co1
InChIInChI=1S/C11H17N3O4/c1-6(2)14-11(3,4)9-12-7(5-18-9)8(15)13-10(16)17/h5-6,14H,1-4H3,(H,13,15)(H,16,17)
InChIKeyGSWAGHQSKFEBBF-UHFFFAOYSA-N
XLogP1.32
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-oxazol-4-yl}-methanone
CID 11638162
2-[1-(Tert-butoxycarbonylamino)ethyl]oxazole-4-carboxylic acid
CID 485054
2-(2-{[(Tert-butoxy)carbonyl]amino}ethyl)-1,3-oxazole-4-carboxylic acid
CID 83814429
methyl 2-[(1R)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate
CID 133548284
Methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate
CID 10632235
methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 134854949
2-methyl-N-[2-(4-morpholinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 30403029
2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide
CID 43906526
(S)-methyl 2-(2-hydroxy-1-pivalamidoethyl)oxazole-4-carboxylate
CID 77059054
2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 99787077
methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 100623709
(2-tert-butyl-1,3-oxazol-4-yl)-[(2S)-2-(difluoromethyl)piperazin-1-yl]methanone
CID 164638477

Frequently Asked Questions

What is the IUPAC name of [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid?
The IUPAC name of [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid (CID 58745723) is [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid.
What is the SMILES notation for [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid?
The canonical SMILES for [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid is CC(C)NC(C)(C)c1nc(C(=O)NC(=O)O)co1.
What is the InChIKey of [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid?
The InChIKey is GSWAGHQSKFEBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)14-11(3,4)9-12-7(5-18-9)8(15)13-10(16)17/h5-6,14H,1-4H3,(H,13,15)(H,16,17).
What are the key properties of [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid?
[2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid has a molecular weight of 255.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(propan-2-ylamino)propan-2-yl]-1,3-oxazole-4-carbonyl]carbamic acid is sourced from PubChem (CID 58745723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).