N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide

C27H29N3O4 — CID 54503516

IUPACN-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide
SMILESCN(C=C1N=C(c2cccc3ccccc23)OC1=O)CCCCCCN(C)C(=O)c1ccco1
InChIInChI=1S/C27H29N3O4/c1-29(16-7-3-4-8-17-30(2)26(31)24-15-10-18-33-24)19-23-27(32)34-25(28-23)22-14-9-12-20-11-5-6-13-21(20)22/h5-6,9-15,18-19H,3-4,7-8,16-17H2,1-2H3
InChIKeyYECHABCNHOZJHO-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.84
Rot. Bonds10

About N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide

N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide (PubChem CID 54503516) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide
PubChem CID54503516
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide
SMILESCN(C=C1N=C(c2cccc3ccccc23)OC1=O)CCCCCCN(C)C(=O)c1ccco1
InChIInChI=1S/C27H29N3O4/c1-29(16-7-3-4-8-17-30(2)26(31)24-15-10-18-33-24)19-23-27(32)34-25(28-23)22-14-9-12-20-11-5-6-13-21(20)22/h5-6,9-15,18-19H,3-4,7-8,16-17H2,1-2H3
InChIKeyYECHABCNHOZJHO-UHFFFAOYSA-N
XLogP4.84
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-methyl-N-[6-[methyl-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]carbamate
CID 70158728
4-chloro-N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]benzenesulfonamide
CID 54208143
4-[[4-(furan-2-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 70157423
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-methyl-N-[8-(methylamino)octyl]furan-2-carboxamide
CID 14423358
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 18527818
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
methyl 4-[furan-2-carbonyl(methyl)amino]butanoate
CID 60714315
2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3964157
[2-methoxy-5-[(Z)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] propanoate
CID 1206056
(4Z)-2-(2-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 819907

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide (CID 54503516) is N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide is CN(C=C1N=C(c2cccc3ccccc23)OC1=O)CCCCCCN(C)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide?
The InChIKey is YECHABCNHOZJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-29(16-7-3-4-8-17-30(2)26(31)24-15-10-18-33-24)19-23-27(32)34-25(28-23)22-14-9-12-20-11-5-6-13-21(20)22/h5-6,9-15,18-19H,3-4,7-8,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide?
N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-[methyl-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]furan-2-carboxamide is sourced from PubChem (CID 54503516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).