(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol

C16H20N2O3 — CID 77085335

IUPAC(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cc(-c2ccccc2)no1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C16H20N2O3/c1-2-18(15-10-20-11-16(15)19)9-13-8-14(17-21-13)12-6-4-3-5-7-12/h3-8,15-16,19H,2,9-11H2,1H3/t15-,16-/m0/s1
InChIKeyQVZPAQDHVPXNAQ-HOTGVXAUSA-N
MW288.35 g/mol
LogP1.92
Rot. Bonds5

About (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol

(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol (PubChem CID 77085335) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol
PubChem CID77085335
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cc(-c2ccccc2)no1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C16H20N2O3/c1-2-18(15-10-20-11-16(15)19)9-13-8-14(17-21-13)12-6-4-3-5-7-12/h3-8,15-16,19H,2,9-11H2,1H3/t15-,16-/m0/s1
InChIKeyQVZPAQDHVPXNAQ-HOTGVXAUSA-N
XLogP1.92
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 102676753
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
CID 70777169
(2S)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95895559
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
4-(dibenzylamino)oxolan-3-ol
CID 130502990
(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 98871583
2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
CID 61006913
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
CID 63300075
N-tert-butyl-2-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 51291858
2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid
CID 60833551

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol (CID 77085335) is (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol is CCN(Cc1cc(-c2ccccc2)no1)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol?
The InChIKey is QVZPAQDHVPXNAQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-18(15-10-20-11-16(15)19)9-13-8-14(17-21-13)12-6-4-3-5-7-12/h3-8,15-16,19H,2,9-11H2,1H3/t15-,16-/m0/s1.
What are the key properties of (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol?
(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol has a molecular weight of 288.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol is sourced from PubChem (CID 77085335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).