2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid

C16H14N4O3 — CID 163312376

IUPAC2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2ocnc2Cc2ccccc2)cn1
InChIInChI=1S/C16H14N4O3/c21-14(22)9-19-16-17-7-12(8-18-16)15-13(20-10-23-15)6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)(H,17,18,19)
InChIKeyKCIINLBPSJGJLV-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.22
Rot. Bonds6

About 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid

2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid (PubChem CID 163312376) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
PubChem CID163312376
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2ocnc2Cc2ccccc2)cn1
InChIInChI=1S/C16H14N4O3/c21-14(22)9-19-16-17-7-12(8-18-16)15-13(20-10-23-15)6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)(H,17,18,19)
InChIKeyKCIINLBPSJGJLV-UHFFFAOYSA-N
XLogP2.22
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
CID 116975092
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
CID 116975091
4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
CID 163316308
2-[4-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-1-morpholin-4-ylethanone
CID 163306576
2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605853
2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid
CID 174643664
4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305240
1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
CID 112545403
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 163307292
3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride
CID 119788971
4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 163311032

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid (CID 163312376) is 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid is O=C(O)CNc1ncc(-c2ocnc2Cc2ccccc2)cn1.
What is the InChIKey of 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid?
The InChIKey is KCIINLBPSJGJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14(22)9-19-16-17-7-12(8-18-16)15-13(20-10-23-15)6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)(H,17,18,19).
What are the key properties of 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid?
2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid has a molecular weight of 310.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 163312376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).