2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide

C18H24N4O3 — CID 71982863

IUPAC2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NCc2ncc(C(C)(C)C)o2)cc1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)14-10-20-16(25-14)11-21-17(24)22-13-7-5-12(6-8-13)9-15(23)19-4/h5-8,10H,9,11H2,1-4H3,(H,19,23)(H2,21,22,24)
InChIKeyTXJNFXSHNVIHAB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.58
Rot. Bonds5

About 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide

2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide (PubChem CID 71982863) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide
PubChem CID71982863
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NCc2ncc(C(C)(C)C)o2)cc1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)14-10-20-16(25-14)11-21-17(24)22-13-7-5-12(6-8-13)9-15(23)19-4/h5-8,10H,9,11H2,1-4H3,(H,19,23)(H2,21,22,24)
InChIKeyTXJNFXSHNVIHAB-UHFFFAOYSA-N
XLogP2.58
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide (CID 71982863) is 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)NCc2ncc(C(C)(C)C)o2)cc1.
What is the InChIKey of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The InChIKey is TXJNFXSHNVIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)14-10-20-16(25-14)11-21-17(24)22-13-7-5-12(6-8-13)9-15(23)19-4/h5-8,10H,9,11H2,1-4H3,(H,19,23)(H2,21,22,24).
What are the key properties of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide has a molecular weight of 344.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 71982863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).