2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid

C14H16N2O3S — CID 60834843

IUPAC2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
SMILESCc1oc(-c2cccs2)nc1CN(CC(=O)O)C1CC1
InChIInChI=1S/C14H16N2O3S/c1-9-11(7-16(8-13(17)18)10-4-5-10)15-14(19-9)12-3-2-6-20-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyZDFHMVCRLBSXHW-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.76
Rot. Bonds6

About 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid

2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid (PubChem CID 60834843) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
PubChem CID60834843
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
SMILESCc1oc(-c2cccs2)nc1CN(CC(=O)O)C1CC1
InChIInChI=1S/C14H16N2O3S/c1-9-11(7-16(8-13(17)18)10-4-5-10)15-14(19-9)12-3-2-6-20-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyZDFHMVCRLBSXHW-UHFFFAOYSA-N
XLogP2.76
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 54945171
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclohexanamine
CID 26318795
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45191507
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
(3S)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 35035304
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229600
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75361365
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
3-methyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468711
methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
CID 60965751
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55514055
(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95874393

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid (CID 60834843) is 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid is Cc1oc(-c2cccs2)nc1CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
The InChIKey is ZDFHMVCRLBSXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-11(7-16(8-13(17)18)10-4-5-10)15-14(19-9)12-3-2-6-20-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 60834843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).