3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol

C12H16N2O2 — CID 84685747

IUPAC3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol
SMILESNCCCC1=NC(c2cccc(O)c2)CO1
InChIInChI=1S/C12H16N2O2/c13-6-2-5-12-14-11(8-16-12)9-3-1-4-10(15)7-9/h1,3-4,7,11,15H,2,5-6,8,13H2
InChIKeyHRZXCQAYWJAVBP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.60
Rot. Bonds4

About 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol

3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol (PubChem CID 84685747) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol
PubChem CID84685747
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol
SMILESNCCCC1=NC(c2cccc(O)c2)CO1
InChIInChI=1S/C12H16N2O2/c13-6-2-5-12-14-11(8-16-12)9-3-1-4-10(15)7-9/h1,3-4,7,11,15H,2,5-6,8,13H2
InChIKeyHRZXCQAYWJAVBP-UHFFFAOYSA-N
XLogP1.60
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
CID 115062135
2-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84712359
3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol
CID 115061922
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol
CID 79001840
methyl 2-(3-aminopropyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 105442031
3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol
CID 82024443
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
CID 6396282
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 127262963
3-(oxiran-2-yl)phenol;phenol
CID 87353327
3-[4-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 84698426

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol?
The IUPAC name of 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol (CID 84685747) is 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol.
What is the SMILES notation for 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol?
The canonical SMILES for 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol is NCCCC1=NC(c2cccc(O)c2)CO1.
What is the InChIKey of 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol?
The InChIKey is HRZXCQAYWJAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-6-2-5-12-14-11(8-16-12)9-3-1-4-10(15)7-9/h1,3-4,7,11,15H,2,5-6,8,13H2.
What are the key properties of 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol?
3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol has a molecular weight of 220.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol is sourced from PubChem (CID 84685747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).