1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea

C13H17N5O3 — CID 128968666

IUPAC1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
SMILESCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccon2)cn1
InChIInChI=1S/C13H17N5O3/c1-18-8-9(7-14-18)12-10(3-2-5-20-12)15-13(19)16-11-4-6-21-17-11/h4,6-8,10,12H,2-3,5H2,1H3,(H2,15,16,17,19)/t10-,12+/m0/s1
InChIKeyNCAHFMSCEGNIQH-CMPLNLGQSA-N
MW291.31 g/mol
LogP1.45
Rot. Bonds3

About 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 128968666) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
PubChem CID128968666
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
SMILESCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccon2)cn1
InChIInChI=1S/C13H17N5O3/c1-18-8-9(7-14-18)12-10(3-2-5-20-12)15-13(19)16-11-4-6-21-17-11/h4,6-8,10,12H,2-3,5H2,1H3,(H2,15,16,17,19)/t10-,12+/m0/s1
InChIKeyNCAHFMSCEGNIQH-CMPLNLGQSA-N
XLogP1.45
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea
CID 154770309
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 129005975
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475287
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 154800221
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 128992934
6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
CID 122055512
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128992337
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea (CID 128968666) is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea is Cn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccon2)cn1.
What is the InChIKey of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is NCAHFMSCEGNIQH-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-18-8-9(7-14-18)12-10(3-2-5-20-12)15-13(19)16-11-4-6-21-17-11/h4,6-8,10,12H,2-3,5H2,1H3,(H2,15,16,17,19)/t10-,12+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea?
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 291.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 128968666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).