2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid

C15H18N2O5 — CID 119198240

IUPAC2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C15H18N2O5/c1-9(2)17(8-14(19)20)13(18)7-11-10(3)22-15(16-11)12-5-4-6-21-12/h4-6,9H,7-8H2,1-3H3,(H,19,20)
InChIKeyOFUUTGKGOIBBBO-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.11
Rot. Bonds6

About 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid

2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid (PubChem CID 119198240) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid
PubChem CID119198240
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C15H18N2O5/c1-9(2)17(8-14(19)20)13(18)7-11-10(3)22-15(16-11)12-5-4-6-21-12/h4-6,9H,7-8H2,1-3H3,(H,19,20)
InChIKeyOFUUTGKGOIBBBO-UHFFFAOYSA-N
XLogP2.11
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
CID 119228152
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120830795
3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541365
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109387966
2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 126790370
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[3-[(1S)-1-methoxyethyl]phenyl]acetamide
CID 95321877
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid (CID 119198240) is 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid is Cc1oc(-c2ccco2)nc1CC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is OFUUTGKGOIBBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9(2)17(8-14(19)20)13(18)7-11-10(3)22-15(16-11)12-5-4-6-21-12/h4-6,9H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid?
2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).