2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid

C16H18N2O3 — CID 43656694

IUPAC2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(-c2ccccc2)on1)CC1CC1
InChIInChI=1S/C16H18N2O3/c19-16(20)11-18(9-12-6-7-12)10-14-8-15(21-17-14)13-4-2-1-3-5-13/h1-5,8,12H,6-7,9-11H2,(H,19,20)
InChIKeyJLIBXQIVMPQION-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.64
Rot. Bonds7

About 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid

2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid (PubChem CID 43656694) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
PubChem CID43656694
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(-c2ccccc2)on1)CC1CC1
InChIInChI=1S/C16H18N2O3/c19-16(20)11-18(9-12-6-7-12)10-14-8-15(21-17-14)13-4-2-1-3-5-13/h1-5,8,12H,6-7,9-11H2,(H,19,20)
InChIKeyJLIBXQIVMPQION-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
(2R)-((3S,4S)-3-{[4-(5-Benzylisoxazol-3-yl)piperidin-1-yl]methyl}-4-phenylpyrrolidin-1-yl)(cyclohexyl)acetic acid
CID 516343
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
(5-Phenyl-3-isoxazolyl)-(1-pyrrolidinyl)methanone
CID 973874
N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093791
(3S,6S)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-6-(cyclopropylmethyl)-3-isobutylpiperazin-2-one
CID 68158557
Azaperhydroepinyl 5-(4-fluorophenyl)isoxazol-3-yl ketone
CID 17252691
N-(5-(hydroxyamino)-5-oxopentyl)-5-phenylisoxazole-3-carboxamide
CID 24951311
N,N-dicyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 25110488
N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 54770484
N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 54770485

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid (CID 43656694) is 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1cc(-c2ccccc2)on1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid?
The InChIKey is JLIBXQIVMPQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(20)11-18(9-12-6-7-12)10-14-8-15(21-17-14)13-4-2-1-3-5-13/h1-5,8,12H,6-7,9-11H2,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43656694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).