1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea

C9H12FN3O3 — CID 166262489

IUPAC1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)N[C@@H]2COC[C@@H]2F)on1
InChIInChI=1S/C9H12FN3O3/c1-5-2-8(16-13-5)12-9(14)11-7-4-15-3-6(7)10/h2,6-7H,3-4H2,1H3,(H2,11,12,14)/t6-,7+/m0/s1
InChIKeyVXVCPIWKHGZWLT-NKWVEPMBSA-N
MW229.21 g/mol
LogP0.84
Rot. Bonds2

About 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea

1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 166262489) has the molecular formula C9H12FN3O3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID166262489
Molecular FormulaC9H12FN3O3
Molecular Weight229.21 g/mol
Exact Mass229.09
IUPAC Name1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)N[C@@H]2COC[C@@H]2F)on1
InChIInChI=1S/C9H12FN3O3/c1-5-2-8(16-13-5)12-9(14)11-7-4-15-3-6(7)10/h2,6-7H,3-4H2,1H3,(H2,11,12,14)/t6-,7+/m0/s1
InChIKeyVXVCPIWKHGZWLT-NKWVEPMBSA-N
XLogP0.84
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
CID 154845601
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 65487181
1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 90203017
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
CID 43616283
1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 167862543
cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95389924
1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95975313

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 166262489) is 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)N[C@@H]2COC[C@@H]2F)on1.
What is the InChIKey of 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is VXVCPIWKHGZWLT-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12FN3O3/c1-5-2-8(16-13-5)12-9(14)11-7-4-15-3-6(7)10/h2,6-7H,3-4H2,1H3,(H2,11,12,14)/t6-,7+/m0/s1.
What are the key properties of 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 229.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-fluorooxolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 166262489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).