1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea

C19H25N5O3 — CID 118785768

IUPAC1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C
InChIInChI=1S/C19H25N5O3/c1-4-23(12-17-20-14(3)27-22-17)19(26)21-16-8-7-15(11-13(16)2)18(25)24-9-5-6-10-24/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,26)
InChIKeyWYZZQIRZSFFWGT-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.98
Rot. Bonds5

About 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea

1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 118785768) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID118785768
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C
InChIInChI=1S/C19H25N5O3/c1-4-23(12-17-20-14(3)27-22-17)19(26)21-16-8-7-15(11-13(16)2)18(25)24-9-5-6-10-24/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,26)
InChIKeyWYZZQIRZSFFWGT-UHFFFAOYSA-N
XLogP2.98
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1-(oxan-4-ylmethyl)urea
CID 118766629
3-(2H-benzotriazol-4-yl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 118776989
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 125171865
[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 52810003
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
3-(2-chloro-4-methylphenyl)-1-methyl-1-[2-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50828529
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
CID 131936206
3-(2-methylpyrazol-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 131890072

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 118785768) is 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea is CCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C.
What is the InChIKey of 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is WYZZQIRZSFFWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-23(12-17-20-14(3)27-22-17)19(26)21-16-8-7-15(11-13(16)2)18(25)24-9-5-6-10-24/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,26).
What are the key properties of 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 371.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 118785768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).