1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea

C20H23N5O3 — CID 122558814

IUPAC1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)N(C)Cc2cc(C3CC3)on2)cc1
InChIInChI=1S/C20H23N5O3/c1-25(12-16-9-18(28-24-16)13-3-4-13)20(26)21-10-15-11-22-23-19(15)14-5-7-17(27-2)8-6-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyFWPDZPZHXWJLAF-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.29
Rot. Bonds7

About 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea (PubChem CID 122558814) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
PubChem CID122558814
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)N(C)Cc2cc(C3CC3)on2)cc1
InChIInChI=1S/C20H23N5O3/c1-25(12-16-9-18(28-24-16)13-3-4-13)20(26)21-10-15-11-22-23-19(15)14-5-7-17(27-2)8-6-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyFWPDZPZHXWJLAF-UHFFFAOYSA-N
XLogP3.29
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea
CID 119062779
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70772191
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122560013
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 118795212
3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 126427974
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea
CID 118788560
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 91829160
1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 6624841
(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125442613
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 72862665
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine;hydrochloride
CID 56816245

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea?
The IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea (CID 122558814) is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea?
The canonical SMILES for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea is COc1ccc(-c2[nH]ncc2CNC(=O)N(C)Cc2cc(C3CC3)on2)cc1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea?
The InChIKey is FWPDZPZHXWJLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-25(12-16-9-18(28-24-16)13-3-4-13)20(26)21-10-15-11-22-23-19(15)14-5-7-17(27-2)8-6-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea?
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea has a molecular weight of 381.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea is sourced from PubChem (CID 122558814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).