1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea

C18H24N4O3 — CID 95904410

IUPAC1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCO[C@]1(C)C[C@H](NC(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C
InChIInChI=1S/C18H24N4O3/c1-11-6-7-12(15-22-19-10-25-15)8-13(11)20-16(23)21-14-9-18(4,24-5)17(14,2)3/h6-8,10,14H,9H2,1-5H3,(H2,20,21,23)/t14-,18+/m0/s1
InChIKeyURYRCZKVMKDCPN-KBXCAEBGSA-N
MW344.42 g/mol
LogP3.37
Rot. Bonds4

About 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea

1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 95904410) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID95904410
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCO[C@]1(C)C[C@H](NC(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C
InChIInChI=1S/C18H24N4O3/c1-11-6-7-12(15-22-19-10-25-15)8-13(11)20-16(23)21-14-9-18(4,24-5)17(14,2)3/h6-8,10,14H,9H2,1-5H3,(H2,20,21,23)/t14-,18+/m0/s1
InChIKeyURYRCZKVMKDCPN-KBXCAEBGSA-N
XLogP3.37
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71874137
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52525045
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901
1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111453598
1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111474811
(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 61180590
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 95773525

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (CID 95904410) is 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is CO[C@]1(C)C[C@H](NC(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C.
What is the InChIKey of 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is URYRCZKVMKDCPN-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-6-7-12(15-22-19-10-25-15)8-13(11)20-16(23)21-14-9-18(4,24-5)17(14,2)3/h6-8,10,14H,9H2,1-5H3,(H2,20,21,23)/t14-,18+/m0/s1.
What are the key properties of 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 95904410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).